[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(3-fluoro-4-pyridinyl)methanone

C15H12ClFN2OS — CID 122329440

IUPAC[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)N1CCSC1c1ccccc1Cl
InChIInChI=1S/C15H12ClFN2OS/c16-12-4-2-1-3-10(12)15-19(7-8-21-15)14(20)11-5-6-18-9-13(11)17/h1-6,9,15H,7-8H2
InChIKeyLLJTYNRCONWCMU-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.76
Rot. Bonds2

About [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(3-fluoro-4-pyridinyl)methanone

[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(3-fluoro-4-pyridinyl)methanone (PubChem CID 122329440) has the molecular formula C15H12ClFN2OS and a molecular weight of 322.79 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(3-fluoro-4-pyridinyl)methanone
PubChem CID122329440
Molecular FormulaC15H12ClFN2OS
Molecular Weight322.79 g/mol
Exact Mass322.03
IUPAC Name[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)N1CCSC1c1ccccc1Cl
InChIInChI=1S/C15H12ClFN2OS/c16-12-4-2-1-3-10(12)15-19(7-8-21-15)14(20)11-5-6-18-9-13(11)17/h1-6,9,15H,7-8H2
InChIKeyLLJTYNRCONWCMU-UHFFFAOYSA-N
XLogP3.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(3-fluoro-4-pyridinyl)methanone (CID 122329440) is [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(3-fluoro-4-pyridinyl)methanone is O=C(c1ccncc1F)N1CCSC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is LLJTYNRCONWCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2OS/c16-12-4-2-1-3-10(12)15-19(7-8-21-15)14(20)11-5-6-18-9-13(11)17/h1-6,9,15H,7-8H2.
What are the key properties of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(3-fluoro-4-pyridinyl)methanone?
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(3-fluoro-4-pyridinyl)methanone has a molecular weight of 322.79 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 122329440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).